Geometry & MOs

Info

ID:	314032
PubChem CID:	126619784
Reduced:	N3O6C28H33 (1)
Stoich.:	A3B6C28D33 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	-182.4
Dipole, Da:	7.3
IP(EA), eV:	-9.12(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(methylaminomethyl)phenyl]piperidin-1-yl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C2=NC=C(C=N2)OCCOCC(=O)OCC(C)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations